1-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenyl-thiourea

Systemtic Name: 1-[(3-nitro-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenyl-thiourea Openeye Name: 1-[(3-nitro-4-oxo-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenyl-thiourea CAS Name: 1-[(3-nitro-4-oxo-1-cyclohexa-2,5-dienylidene)methylamino]-3-phenylthiourea IUPAC Name: 1-[(3-nitro-4-oxocyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenylthiourea Traditional Name: 1-[(4-keto-3-nitro-cyclohexa-2,5-dien-1-ylidene)methylamino]-3-phenyl-thiourea Formula: C14H12N4O3S MolecularWeight: 316.33508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=S)NNC=C2C=CC(=O)C(=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)NC(=S)NNC=C2C=CC(=O)C(=C2)[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O3S/c19-13-7-6-10(8-12(13)18(20)21)9-15-17-14(22)16-11-4-2-1-3-5-11/h1-9,15H,(H2,16,17,22)